Compound Detail
CHEMBL276881
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CC(C)(C)OC(=O)Nc1cccc(-c2ccc(C(=O)N[C@@H](CCCN=C(N)N)B3O[C@@H]4CC5CC(C5(C)C)[C@]4(C)O3)s2)c1
Basic Information
| ChEMBL ID | CHEMBL276881 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DMXLEYSBGURAQX-GBQMHVMUSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
609.6
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine protease 1 CHEMBL209 | Ki | 7.89 | 7.89 | 13.0 | 1 |
| Prothrombin CHEMBL204 | Ki | 7.38 | 7.38 | 42.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine protease 1 | Ki | = | 13.0 | nM | 7.89 | Inhibition of trypsin | - |
| Prothrombin | Ki | = | 42.0 | nM | 7.38 | Inhibition of thrombin | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(97)00254-0 | Prothrombin | 1 |
| - | 10.1016/S0960-894X(97)00254-0 | Serine protease 1 | 1 |
Data from ChEMBL 36 via Core Engine